methyl 2-[1-[(4-aminocarbonyl-2-nitro-phenyl)methyl]-3-oxidanylidene-piperazin-2-yl]ethanoate

Systemtic Name: methyl 2-[1-[(4-aminocarbonyl-2-nitro-phenyl)methyl]-3-oxidanylidene-piperazin-2-yl]ethanoate Openeye Name: methyl 2-[1-[(4-carbamoyl-2-nitro-phenyl)methyl]-3-oxo-piperazin-2-yl]acetate CAS Name: 2-[1-[(4-carbamoyl-2-nitrophenyl)methyl]-3-oxo-2-piperazinyl]acetic acid methyl ester IUPAC Name: methyl 2-[1-[(4-carbamoyl-2-nitrophenyl)methyl]-3-oxopiperazin-2-yl]acetate Traditional Name: 2-[1-(4-carbamoyl-2-nitro-benzyl)-3-keto-piperazin-2-yl]acetic acid methyl ester Formula: C15H18N4O6 MolecularWeight: 350.32662

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC1C(=O)NCCN1CC2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-]

Isomeric SMILES

COC(=O)CC1C(=O)NCCN1CC2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C15H18N4O6/c1-25-13(20)7-12-15(22)17-4-5-18(12)8-10-3-2-9(14(16)21)6-11(10)19(23)24/h2-3,6,12H,4-5,7-8H2,1H3,(H2,16,21)(H,17,22)